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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Predicting crack growth direction in unidirectional composites

The purpose of this study is to gain a better understanding of the parameters affecting crack growth direction in unidirectional composite materials. To achieve this, the effect of anisotropy and biaxial, far field, loading on the direction of crack growth in unidirectional off-axis composite materials is investigated. Specific emphasis is placed on defining the crack-tip-stress field and finding a consistent criterion for predicting the direction of crack growth. An anisotropic crack-tip-stress analysis was implemented using three criteria (the normal stress ratio theory, the tensor polynomial failure criterion, and the strain energy density theory) to predict the direction of crack extension in unidirectional off-axis graphite-epoxy. The theoretically predicted crack extension directions were then compared with experimental results. It was determined that only the normal stress-ratio criterion correctly predicts the direction of crack extension.

Gregory, M. A.↗
DOE OSTI2024

Hybrid algorithm for the time-dependent Hartree–Fock method using the Yang–Baxter equation on quantum computers *

Abstract The time-dependent Hartree–Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree–Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang–Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Effects of magnetometer calibration and maneuvers on accuracies of magnetometer-only attitude-and-rate determination

Two different algorithms - a deterministic magnetic-field-only algorithm and a Kalman filter for gyroless spacecraft - are used to estimate the attitude and rates of the Rossi X-Ray Timing Explorer (RXTE) using only measurements from a three-axis magnetometer. The performance of these algorithms is examined using in-flight data from various scenarios. In particular, significant enhancements in accuracies are observed when' the telemetered magnetometer data are accurately calibrated using a recently developed calibration algorithm. Interesting features observed in these studies of the inertial-pointing RXTE include a remarkable sensitivity of the filter to the numerical values of the noise parameters and relatively long convergence time spans. By analogy, the accuracy of the deterministic scheme is noticeably lower as a result of reduced rates of change of the body-fixed geomagnetic field. Preliminary results show the filter-per-axis attitude accuracies ranging between 0.1 and 0.5 deg and rate accuracies between 0.001 deg/sec and 0.005 deg./sec, whereas the deterministic method needs a more sophisticated techniques for smoothing time derivatives of the measured geomagnetic field to clearly distinguish both attitude and rate solutions from the numerical noise. Also included is a new theoretical development in the deterministic algorithm: the transformation of a transcendental equation in the original theory into an 8th-order polynomial equation. It is shown that this 8th-order polynomial reduces to quadratic equations in the two limiting cases-infinitely high wheel momentum, and constant rates-discussed in previous publications.

Challa, M.↗
DOE OSTI2024

Absence of quantization in the circular photogalvanic effect in disordered chiral Weyl semimetals

The circularly polarized photogalvanic effect (CPGE) is studied in chiral Weyl semimetals with short-range quenched disorder. Without disorder, the topological properties of chiral Weyl semimetals lead to quantization of the CPGE, which is a second-order optical response. Furthermore, using a combination of diagrammatic perturbation theory in the continuum and exact numerical calculations via the kernel polynomial method on a lattice model, we show that disorder perturbatively destabilizes the quantization of the CPGE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Discrete-Layer Piezoelectric Plate and Shell Models for Active Tip-Clearance Control

The objectives of this work were to develop computational tools for the analysis of active-sensory composite structures with added or embedded piezoelectric layers. The targeted application for this class of smart composite laminates and the analytical development is the accomplishment of active tip-clearance control in turbomachinery components. Two distinct theories and analytical models were developed and explored under this contract: (1) a discrete-layer plate theory and corresponding computational models, and (2) a three dimensional general discrete-layer element generated in curvilinear coordinates for modeling laminated composite piezoelectric shells. Both models were developed from the complete electromechanical constitutive relations of piezoelectric materials, and incorporate both displacements and potentials as state variables. This report describes the development and results of these models. The discrete-layer theories imply that the displacement field and electrostatic potential through-the-thickness of the laminate are described over an individual layer rather than as a smeared function over the thickness of the entire plate or shell thickness. This is especially crucial for composites with embedded piezoelectric layers, as the actuating and sensing elements within these layers are poorly represented by effective or smeared properties. Linear Lagrange interpolation polynomials were used to describe the through-thickness laminate behavior. Both analytic and finite element approximations were used in the plane or surface of the structure. In this context, theoretical developments are presented for the discrete-layer plate theory, the discrete-layer shell theory, and the formulation of an exact solution for simply-supported piezoelectric plates. Finally, evaluations and results from a number of separate examples are presented for the static and dynamic analysis of the plate geometry. Comparisons between the different approaches are provided when possible, and initial conclusions regarding the accuracy and limitations of these models are given.

Heyliger, P. R.↗
NASA NTRS1961

The Theory of Artificial Satellites in Terms of the Orbital True Longitude

The author's previous theory of the artificial satellite is derived in terms of the. disturbed eccentric anomaly. The present development, in terms of the orbital true longitude, is a substantial improvement over the earlier work in that it leads to the faster convergence for large eccentricities and to a smaller number of terms in the series representing the perturbations. Moreover, each approximation of the radius vector and of the parameters determining the position of the orbit plane is obtained not in the form of a truncated infinite series but in the form of trigonometric polynomials in two arguments. These arguments are the mean true anomaly and the mean argument of the latitude. The present theory, like the previous one, permits the computation of perturbations of any desired order. Thus, any future information about earth's gravitational field can easily be included.

Musen, Peter↗
NASA NTRS2010

Reflector Surface Error Compensation in Dual-Reflector Antennas

By probing the field on a small subreflector at a minimal number of points, the main reflector surface errors can be obtained and subsequently used to design a phase-correction subreflector that can compensate for main reflector errors. The compensating phase-error profile across the subreflector can be achieved either by a surface deformation or by the use of an array of elements such as patch antennas that can cause a phase shift between the incoming and outgoing fields. The second option is of primary interest here, but the methodology can be applied to either case. The patch array is most easily implemented on a planar surface. Therefore, the example of a flat subreflector and a parabolic main reflector (a Newtonian dual reflector system) is considered in this work. The subreflector is assumed to be a reflector array covered with patch elements. The phase variation on a subreflector can be detected by a small number of receiving patch elements (probes). By probing the phase change at these few selected positions on the subreflector, the phase error over the entire surface can be recovered and used to change the phase of all the patch elements covering the subreflector plane to compensate for main reflector errors. This is accomplished by using a version of sampling theorem on the circular aperture. The sampling is performed on the phase-error function on the circular aperture of the main reflector by a method developed using Zernike polynomials. This method is based upon and extended from a theory previously proposed and applied to reflector aperture integration. This sampling method provides for an exact retrieval of the coefficients of up to certain orders in the expansion of the phase function, from values on a specifically calculated set of points in radial and azimuthal directions in the polar coordinate system, on the circular reflector aperture. The corresponding points on the subreflector are then obtained and, by probing the fields at these points, a set of phase values is determined that is then transferred back to the main reflector aperture for recovering the phase function. Once this function is recovered, the corresponding phase function on the subreflector is calculated and used to compensate for main reflector surface errors. In going back and forth between sub and main reflectors, geometrical (ray) optics is employed, which even though it ignores edge diffraction and other effects, is shown to be accurate for phase recovery.

Jamnejad, Vahraz↗
DOE OSTI2024

Learning Nonlinear Reduced Models from Data with Operator Inference

This review discusses Operator Inference, a nonintrusive reduced modeling approach that incorporates physical governing equations by defining a structured polynomial form for the reduced model, and then learns the corresponding reduced operators from simulated training data. The polynomial model form of Operator Inference is sufficiently expressive to cover a wide range of nonlinear dynamics found in fluid mechanics and other fields of science and engineering, while still providing efficient reduced model computations. The learning steps of Operator Inference are rooted in classical projection-based model reduction; thus, some of the rich theory of model reduction can be applied to models learned with Operator Inference. This connection to projection-based model reduction theory offers a pathway toward deriving error estimates and gaining insights to improve predictions. Furthermore, through formulations of Operator Inference that preserve Hamiltonian and other structures, important physical properties such as energy conservation can be guaranteed in the predictions of the reduced model beyond the training horizon. This review illustrates key computational steps of Operator Inference through a large-scale combustion example.

Mechanics↗
NASA NTRS1993

A UGO/EUTD Solution for the Scattering and Diffraction from Cubic Polynomial Strips

A uniform geometrical optics (UGO) and an extended uniform geometrical theory of diffraction (EUTD) solution is developed for the scattering and diffraction from perfectly conducting cubic polynomial strips. The new solution overcomes the difficulties of the classic GO/UTD solution near caustics and composite shadow boundaries. The approach for constructing the UGO/EUTD solution is based on a spatial domain physical optics (PO) radiation integral representation for the scattered field which is then reduced using a uniform asymptotic procedure. New uniform reflection, zero-curvature diffraction, and edge diffraction coefficients are derived and involve the ordinary and incomplete Airy integrals as canonical functions. Higher order effects such as double edge diffraction, edge-excited creeping waves, and whispering gallery modes are not examined in this work. The UGO/EUTD solution is very efficient and provides useful physical insight into the various scattering and diffraction processes. It is also universal in nature and can be used to effectively describe the scattered fields from flat, strictly concave or convex, and concave-convex boundaries containing edges. Its accuracy is confirmed via comparison with some reference moment method (MM) results.

Constantinides, Evagoras D.↗
NASA NTRS1988

A hybrid-stress finite element for linear anisotropic elasticity

Standard assumed displacement finite elements with anisotropic material properties perform poorly in complex stress fields such as combined bending and shear and combined bending and torsion. A set of three dimensional hybrid-stress brick elements were developed with fully anisotropic material properties. Both eight-node and twenty-node bricks were developed based on the symmetry group theory of Punch and Atluri. An eight-node brick was also developed using complete polynomials and stress basis functions and reducing the order of the resulting stress parameter matrix by applying equilibrium constraints and stress compatibility constraints. Here the stress compatibility constraints must be formulated assuming anisotropic material properties. The performance of these elements was examined in numerical examples covering a broad range of stress distributions. The stress predictions show significant improvement over the assumed displacement elements but the calculation time is increased.

Fly, Gerald W.↗
DOE OSTI2024

Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons

Diffusion Monte Carlo (DMC) is an exact technique to project out the ground state (GS) of a Hamiltonian. Since the GS is always bosonic, in Fermionic systems, the projection needs to be carried out while imposing antisymmetric constraints, which is a nondeterministic polynomial hard problem. In practice, therefore, the application of DMC on electronic structure problems is made by employing the fixed-node (FN) approximation, consisting of performing DMC with the constraint of having a fixed, predefined nodal surface. How do we get the nodal surface? The typical approach, applied in systems having up to hundreds or even thousands of electrons, is to obtain the nodal surface from a preliminary mean-field approach (typically, a density functional theory calculation) used to obtain a single Slater determinant. This is known as single reference. In this paper, we propose a new approach, applicable to systems as large as the C 60 fullerene, which improves the nodes by going beyond the single reference. In practice, we employ an implicitly multireference ansatz (antisymmetrized geminal power wave function constraint with molecular orbitals), initialized on the preliminary mean-field approach, which is relaxed by optimizing a few parameters of the wave function determining the nodal surface by minimizing the FN-DMC energy. We highlight the improvements of the proposed approach over the standard single-reference method on several examples and, where feasible, the computational gain over the standard multireference ansatz, which makes the methods applicable to large systems. We also show that physical properties relying on relative energies, such as binding energies, are affordable and reliable within the proposed scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantum simulation of QED in Coulomb gauge

A recent work considered quantum simulation of Quantum Electrodynamics on a lattice in the Coulomb gauge with gauge degrees of freedom represented in the occupation basis in momentum space. In this work, we consider the more efficient representation of the gauge degrees of freedom in field basis in position space and develop a quantum algorithm for real-time simulation. We show that the continuum Coulomb gauge Hamiltonian is equivalent to the temporal gauge Hamiltonian when acting on physical states consisting of fermion and transverse gauge fields. The Coulomb gauge Hamiltonian is discretized by using the Green’s function of the discrete Laplacian operator under the Dirichlet boundary conditions. Both the continuum Coulomb gauge Hamiltonian and the discretized one proposed here guarantee that the unphysical longitudinal gauge fields are decoupled and commute with the corresponding Hamiltonian. Thus there is no need to impose any constraint. The local gauge field basis and the canonically conjugate variable basis are swapped efficiently using the quantum Fourier transform. We prove that the qubit cost to represent physical states and the gate count for real-time simulation scale polynomially with the lattice size, energy, time, accuracy, and Hamiltonian parameters in lattice units. The gate cost here for implementing the time evolution of the gauge field is reduced at least by a factor on the order of 10 8 for modest lattice size and accuracy level compared with the previous work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

A uniform geometrical optics and an extended uniform geometrical theory of diffraction for evaluating high frequency EM fields near smooth caustics and composite shadow boundaries

A uniform geometrical optics (UGO) and an extended uniform geometrical theory of diffraction (EUTD) are developed for evaluating high frequency electromagnetic (EM) fields within transition regions associated with a two and three dimensional smooth caustic of reflected rays and a composite shadow boundary formed by the caustic termination or the confluence of the caustic with the reflection shadow boundary (RSB). The UGO is a uniform version of the classic geometrical optics (GO). It retains the simple ray optical expressions of classic GO and employs a new set of uniform reflection coefficients. The UGO also includes a uniform version of the complex GO ray field that exists on the dark side of the smooth caustic. The EUTD is an extension of the classic uniform geometrical theory of diffraction (UTD) and accounts for the non-ray optical behavior of the UGO reflected field near caustics by using a two-variable transition function in the expressions for the edge diffraction coefficients. It also uniformly recovers the classic UTD behavior of the edge diffracted field outside the composite shadow boundary transition region. The approach employed for constructing the UGO/EUTD solution is based on a spatial domain physical optics (PO) radiation integral representation for the fields which is then reduced using uniform asymptotic procedures. The UGO/EUTD analysis is also employed to investigate the far-zone RCS problem of plane wave scattering from two and three dimensional polynomial defined surfaces, and uniform reflection, zero-curvature, and edge diffraction coefficients are derived. Numerical results for the scattering and diffraction from cubic and fourth order polynomial strips are also shown and the UGO/EUTD solution is validated by comparison to an independent moment method (MM) solution. The UGO/EUTD solution is also compared with the classic GO/UTD solution. The failure of the classic techniques near caustics and composite shadow boundaries is clearly demonstrated and it is shown that the UGO/EUTD results remain valid and uniformly reduce to the classic results away from the transition regions. Mathematical details on the asymptotic properties and efficient numerical evaluation of the canonical functions involved in the UGO/EUTD expressions are also provided.

Constantinides, E. D.↗
NASA NTRS1989

Efficient computer algebra algorithms for polynomial matrices in control design

The theory of polynomial matrices plays a key role in the design and analysis of multi-input multi-output control and communications systems using frequency domain methods. Examples include coprime factorizations of transfer functions, cannonical realizations from matrix fraction descriptions, and the transfer function design of feedback compensators. Typically, such problems abstract in a natural way to the need to solve systems of Diophantine equations or systems of linear equations over polynomials. These and other problems involving polynomial matrices can in turn be reduced to polynomial matrix triangularization procedures, a result which is not surprising given the importance of matrix triangularization techniques in numerical linear algebra. Matrices with entries from a field and Gaussian elimination play a fundamental role in understanding the triangularization process. In the case of polynomial matrices, matrices with entries from a ring for which Gaussian elimination is not defined and triangularization is accomplished by what is quite properly called Euclidean elimination. Unfortunately, the numerical stability and sensitivity issues which accompany floating point approaches to Euclidean elimination are not very well understood. New algorithms are presented which circumvent entirely such numerical issues through the use of exact, symbolic methods in computer algebra. The use of such error-free algorithms guarantees that the results are accurate to within the precision of the model data--the best that can be hoped for. Care must be taken in the design of such algorithms due to the phenomenon of intermediate expressions swell.

Baras, J. S.↗
NASA NTRS2004

Magnectic Probing of Core Geodynamics

To better understand geomagnetic theory and observation, we can use spatial magnetic spectra for the main field and secular variation to test core dynamical hypotheses against seismology. The hypotheses lead to theoretical spectra which are fitted to observational spectra. Each fit yields an estimate of the radius of Earth s core and uncertainty. If this agrees with the seismologic value, then the hypotheses pass the test. A new way to obtain theoretical spectra extends the hydromagnetic scale analysis of Benton to scale-variant field and flow. For narrow scale flow and a dynamically weak field by the top of Earth s core, this yields a JGR-PI, and a secular variation spectrum modulated by a cubic polynomial in spherical harmonic degree n. The former passes the tests. The latter passes many tests, but does not describe rapid dipole decline and quadrupole rebound; some tests suggest it is a bit hard, or rich in narrow scale change.In a core geodynamo, motion of the fluid conductor does work against the Lorentz force. This converts kinetic into magnetic energy which, in turn, is lost to heat via Ohmic dissipation. In the analysis at length- scale l/k, if one presumes kinetic energy is converted in either eddy- overturning or magnetic free-decay time-scales, then Kolmogorov or other spectra in conflict with observational spectra can result. Instead, the rate work is done roughly balances the dissipation rate, which is consistent with small scale flow. The conversion time-scale depends on dynamical constraints. These are summarized by the magneto- geostrophic vertical vorticity balance by the top of the core, which includes anisotropic effects of rotation, the magnetic field, and the core-mantle boundary. The resulting theoretical spectra for the core- source field and its SV are far more compatible with observation. The conversion time-scale of order 120 years is pseudo-scale-invariant. Magnetic spectra of other planets may differ; however, if a transition to non-conducting fluid hydrogen in Jupiter acts as barrier to vertical flow, as well as current, then the shape of the jovi-magnetic spectrum could be remarkably Earth-like.

Voorhies, Coerte↗
NASA NTRS2004

Magnetic Probing of Core Geodynamics

To better understand geomagnetic theory and observation, we can use spatial magnetic spectra for the main field and secular variation to test core dynamical hypotheses against seismology. The hypotheses lead to theoretical spectra which are fitted to observational spectra. Each fit yields an estimate of the radius of Earth's core and uncertainty. If this agrees with the seismologic value, then the hypothesis passes the test. A new way to obtain theoretical spectra extends the hydromagnetic scale analysis of Benton to scale-variant field and flow. For narrow scale flow and a dynamically weak field by the top of Earth's core, this yields a generalized Stevenson-McLeod spectrum for the core-source field, and a secular variation spectrum modulated by a cubic polynomial in spherical harmonic degree n. The former passes the tests. The latter passes many tests, but does not describe rapid dipole decline and quadrupole rebound; some tests suggest it is a bit hard, or rich in narrow scale range. In a core geodynamo, motion of the fluid conductor does work against the Lorentz force. This converts kinetic into magnetic energy which, in turn, is lost to heat via Ohmic dissipation. In the analysis at length-scale 1/k, if one presumes kinetic energy is converted in either eddy-overturning or magnetic free-decay time-scales, then Kolmogorov or other spectra in conflict with observational spectra can result. Instead, the rate work is done roughly balances the dissipation rate, which is consistent with small-scale flow. The conversion time-scale depends on dynamical constraints. These are summarized by the magnetogeostrophic vertical vorticity balance by the top of the core, which includes anisotropic effects of rotation, the magnetic field, and the core-mantle boundary. The resulting theoretical spectra for the core-source field and its SV are far more compatible with observation. The conversion time-scale of order 120 years is pseudo-scale-invariant. Magnetic spectra of other planets may differ; however, if a transition to non-conducting fluid hydrogen in Jupiter acts as a barrier to vertical flow, as well as current, then the shape of the jovi-magnetic spectrum could be remarkably Earth-like.

Voorhies, Coerte V.↗
NASA NTRS2004

Magnetic Probing of Core Geodynamics

To better understand geomagnetic theory and observation, we can use spatial magnetic spectra for the main field and secular variation to test core dynmcal hypotheses against seismology. The hypotheses lead to theoretical spectra which are fitted to observational spectra. Each fit yields an estimate of the radius of Earth's core and uncertainty. If this agrees with the seismologic value, then the hypothes pass the test. A new way to obtain theoretical spectra extends the hydromagnetic scale analysis of Benton to scale-variant field and flow. For narrow scale flow and a dynamically weak field by the top of Earth's core, this yields a generalized Stevenson-McLeod spectrum for the core-source field, and a secular variation spectrum modulated by a cubic polynomial in spherical harmonic degree n. The former passes the tests. The latter passes many tests, but does not describe rapid dipole decline and quadrupole rebound; some tests suggest it is a bit hard, or rich in narrow scale change. In a core geodynamo, motion of the fluid conductor does work against the Lorentz force. This converts kinetic into magnetic energy which, in turn, is lost to heat via Ohmic dissipation. In the analysis at lentgh-scale l/k, if one presumes kinetic energy is converted in either eddy- overturning or magnetic free-decay time-scales, then Kolmogorov or other spectra in conflict with observational spectra can result. Instead, the rate work is done roughly balances the dissipation rate, which is consistent with small scale flow. The conversion time-scale depends on dynamical constraints. These are summarized by the magneto-geostrophic vertical vorticity balance by the top of the core, which includes anisotropic effects of rotation, the magnetic field, and the core- mantle boundary. The resulting theoretical spectra for the core-source field and its SV are far more compatible with observation. The conversion time-scale of order l20 years is pseudo-scale-invarient. Magnetic spectra of other planets may differ; however, if a transition to non-conductmg fluid hydrogen in Jupiter acts as barrier to vertical flow, as well as current, then the shape of the jovi-magnetic spectrum could be remarkably Earth-like.

Voorhies, Coerte V.↗
DOE OSTI2024

Nonlocal chiral contributions to generalized parton distributions of the proton at nonzero skewness

We compute the one-loop contributions to spin-averaged generalized parton distributions (GPDs) in the proton from pseudoscalar mesons with intermediate octet and decuplet baryon states at nonzero skewness. Our framework is based on nonlocal covariant chiral effective theory, with ultraviolet divergences regularized by introducing a relativistic regulator derived consistently from the nonlocal Lagrangian. Using the splitting functions calculated from the nonlocal Lagrangian, we find the nonzero skewness GPDs from meson loops by convoluting with the phenomenological pion GPD and the generalized distribution amplitude, and verify that these satisfy the correct polynomiality properties. We also compute the lowest two moments of GPDs to quantify the meson loop effects on the Dirac, Pauli, and gravitational form factors of the proton.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗